4-aminobenzenethiol;4-chloro-6,7-dimethoxyquinoline;4-(6,7-dimethoxyquinolin-4-yl)sulfanylaniline;N-[4-(6,7-dimethoxyquinolin-4-yl)sulfanylphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride

C71H64Cl2F2N10O10S3 — CID 161459479

IUPAC4-aminobenzenethiol;4-chloro-6,7-dimethoxyquinoline;4-(6,7-dimethoxyquinolin-4-yl)sulfanylaniline;N-[4-(6,7-dimethoxyquinolin-4-yl)sulfanylphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride
SMILESCOc1cc2nccc(Cl)c2cc1OC.COc1cc2nccc(Sc3ccc(N)cc3)c2cc1OC.COc1cc2nccc(Sc3ccc(NC(=O)N4CCN(c5ccc(F)cc5)C4=O)cc3)c2cc1OC.Nc1ccc(S)cc1.O=C(Cl)N1CCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C27H23FN4O4S.C17H16N2O2S.C11H10ClNO2.C10H8ClFN2O2.C6H7NS/c1-35-23-15-21-22(16-24(23)36-2)29-12-11-25(21)37-20-9-5-18(6-10-20)30-26(33)32-14-13-31(27(32)34)19-7-3-17(28)4-8-19;1-20-15-9-13-14(10-16(15)21-2)19-8-7-17(13)22-12-5-3-11(18)4-6-12;1-14-10-5-7-8(12)3-4-13-9(7)6-11(10)15-2;11-9(15)14-6-5-13(10(14)16)8-3-1-7(12)2-4-8;7-5-1-3-6(8)4-2-5/h3-12,15-16H,13-14H2,1-2H3,(H,30,33);3-10H,18H2,1-2H3;3-6H,1-2H3;1-4H,5-6H2;1-4,8H,7H2
InChIKeyWBPJBZKTBFHARO-UHFFFAOYSA-N
MW1422.46 g/mol
LogP16.89
Rot. Bonds13

About 4-aminobenzenethiol;4-chloro-6,7-dimethoxyquinoline;4-(6,7-dimethoxyquinolin-4-yl)sulfanylaniline;N-[4-(6,7-dimethoxyquinolin-4-yl)sulfanylphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride

4-aminobenzenethiol;4-chloro-6,7-dimethoxyquinoline;4-(6,7-dimethoxyquinolin-4-yl)sulfanylaniline;N-[4-(6,7-dimethoxyquinolin-4-yl)sulfanylphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride (PubChem CID 161459479) has the molecular formula C71H64Cl2F2N10O10S3 and a molecular weight of 1422.46 g/mol. Its IUPAC name is 4-aminobenzenethiol;4-chloro-6,7-dimethoxyquinoline;4-(6,7-dimethoxyquinolin-4-yl)sulfanylaniline;N-[4-(6,7-dimethoxyquinolin-4-yl)sulfanylphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride.

Molecular Properties

Compound Name4-aminobenzenethiol;4-chloro-6,7-dimethoxyquinoline;4-(6,7-dimethoxyquinolin-4-yl)sulfanylaniline;N-[4-(6,7-dimethoxyquinolin-4-yl)sulfanylphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride
PubChem CID161459479
Molecular FormulaC71H64Cl2F2N10O10S3
Molecular Weight1422.46 g/mol
Exact Mass1420.33
IUPAC Name4-aminobenzenethiol;4-chloro-6,7-dimethoxyquinoline;4-(6,7-dimethoxyquinolin-4-yl)sulfanylaniline;N-[4-(6,7-dimethoxyquinolin-4-yl)sulfanylphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride
SMILESCOc1cc2nccc(Cl)c2cc1OC.COc1cc2nccc(Sc3ccc(N)cc3)c2cc1OC.COc1cc2nccc(Sc3ccc(NC(=O)N4CCN(c5ccc(F)cc5)C4=O)cc3)c2cc1OC.Nc1ccc(S)cc1.O=C(Cl)N1CCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C27H23FN4O4S.C17H16N2O2S.C11H10ClNO2.C10H8ClFN2O2.C6H7NS/c1-35-23-15-21-22(16-24(23)36-2)29-12-11-25(21)37-20-9-5-18(6-10-20)30-26(33)32-14-13-31(27(32)34)19-7-3-17(28)4-8-19;1-20-15-9-13-14(10-16(15)21-2)19-8-7-17(13)22-12-5-3-11(18)4-6-12;1-14-10-5-7-8(12)3-4-13-9(7)6-11(10)15-2;11-9(15)14-6-5-13(10(14)16)8-3-1-7(12)2-4-8;7-5-1-3-6(8)4-2-5/h3-12,15-16H,13-14H2,1-2H3,(H,30,33);3-10H,18H2,1-2H3;3-6H,1-2H3;1-4H,5-6H2;1-4,8H,7H2
InChIKeyWBPJBZKTBFHARO-UHFFFAOYSA-N
XLogP16.89
TPSA239.36 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001422.46
LogP ≤ 516.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-aminobenzenethiol;4-chloro-6,7-dimethoxyquinoline;4-(6,7-dimethoxyquinolin-4-yl)sulfanylaniline;N-[4-(6,7-dimethoxyquinolin-4-yl)sulfanylphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride with MolForge

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Related Compounds

N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide
CID 45483392
N-[4-(6,7-dimethoxyquinolin-4-yl)sulfanylphenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide
CID 138752837
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 45483444
N-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 24967008
N-[3-fluoro-4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]methyl]phenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 71122816
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(4-fluorophenyl)-1-methyl-4-oxo-2H-pyrimidine-5-carboxamide
CID 123726903
3-[4-(6,7-dimethoxyquinolin-4-yl)sulfanylphenyl]-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 165167137
N-(4-aminophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707383
1-(4-fluorophenyl)-N-[4-[7-(2-hydroxypropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide
CID 72673581
cyclopentyl (2R)-2-amino-5-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanylquinolin-7-yl]oxypentanoate
CID 15602833
N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-1,3-diazinane-5-carboxamide
CID 78118569
6,7-dimethoxyquinazolin-4-amine;(4-methylsulfanylphenyl)urea
CID 170764490

Frequently Asked Questions

What is the IUPAC name of 4-aminobenzenethiol;4-chloro-6,7-dimethoxyquinoline;4-(6,7-dimethoxyquinolin-4-yl)sulfanylaniline;N-[4-(6,7-dimethoxyquinolin-4-yl)sulfanylphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride?
The IUPAC name of 4-aminobenzenethiol;4-chloro-6,7-dimethoxyquinoline;4-(6,7-dimethoxyquinolin-4-yl)sulfanylaniline;N-[4-(6,7-dimethoxyquinolin-4-yl)sulfanylphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride (CID 161459479) is 4-aminobenzenethiol;4-chloro-6,7-dimethoxyquinoline;4-(6,7-dimethoxyquinolin-4-yl)sulfanylaniline;N-[4-(6,7-dimethoxyquinolin-4-yl)sulfanylphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride.
What is the SMILES notation for 4-aminobenzenethiol;4-chloro-6,7-dimethoxyquinoline;4-(6,7-dimethoxyquinolin-4-yl)sulfanylaniline;N-[4-(6,7-dimethoxyquinolin-4-yl)sulfanylphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride?
The canonical SMILES for 4-aminobenzenethiol;4-chloro-6,7-dimethoxyquinoline;4-(6,7-dimethoxyquinolin-4-yl)sulfanylaniline;N-[4-(6,7-dimethoxyquinolin-4-yl)sulfanylphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride is COc1cc2nccc(Cl)c2cc1OC.COc1cc2nccc(Sc3ccc(N)cc3)c2cc1OC.COc1cc2nccc(Sc3ccc(NC(=O)N4CCN(c5ccc(F)cc5)C4=O)cc3)c2cc1OC.Nc1ccc(S)cc1.O=C(Cl)N1CCN(c2ccc(F)cc2)C1=O.
What is the InChIKey of 4-aminobenzenethiol;4-chloro-6,7-dimethoxyquinoline;4-(6,7-dimethoxyquinolin-4-yl)sulfanylaniline;N-[4-(6,7-dimethoxyquinolin-4-yl)sulfanylphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride?
The InChIKey is WBPJBZKTBFHARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O4S.C17H16N2O2S.C11H10ClNO2.C10H8ClFN2O2.C6H7NS/c1-35-23-15-21-22(16-24(23)36-2)29-12-11-25(21)37-20-9-5-18(6-10-20)30-26(33)32-14-13-31(27(32)34)19-7-3-17(28)4-8-19;1-20-15-9-13-14(10-16(15)21-2)19-8-7-17(13)22-12-5-3-11(18)4-6-12;1-14-10-5-7-8(12)3-4-13-9(7)6-11(10)15-2;11-9(15)14-6-5-13(10(14)16)8-3-1-7(12)2-4-8;7-5-1-3-6(8)4-2-5/h3-12,15-16H,13-14H2,1-2H3,(H,30,33);3-10H,18H2,1-2H3;3-6H,1-2H3;1-4H,5-6H2;1-4,8H,7H2.
What are the key properties of 4-aminobenzenethiol;4-chloro-6,7-dimethoxyquinoline;4-(6,7-dimethoxyquinolin-4-yl)sulfanylaniline;N-[4-(6,7-dimethoxyquinolin-4-yl)sulfanylphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride?
4-aminobenzenethiol;4-chloro-6,7-dimethoxyquinoline;4-(6,7-dimethoxyquinolin-4-yl)sulfanylaniline;N-[4-(6,7-dimethoxyquinolin-4-yl)sulfanylphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride has a molecular weight of 1422.46 g/mol, XLogP of 16.89, 13 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzenethiol;4-chloro-6,7-dimethoxyquinoline;4-(6,7-dimethoxyquinolin-4-yl)sulfanylaniline;N-[4-(6,7-dimethoxyquinolin-4-yl)sulfanylphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide;3-(4-fluorophenyl)-2-oxoimidazolidine-1-carbonyl chloride is sourced from PubChem (CID 161459479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).